(3-amino-2-oxopropyl)-(cyclohexylidenemethyl)-dihydroxyphosphanium

C10H19NO3P+ — CID 91929125

IUPAC(3-amino-2-oxopropyl)-(cyclohexylidenemethyl)-dihydroxyphosphanium
SMILESNCC(=O)C[P+](O)(O)C=C1CCCCC1
InChIInChI=1S/C10H19NO3P/c11-6-10(12)8-15(13,14)7-9-4-2-1-3-5-9/h7,13-14H,1-6,8,11H2/q+1
InChIKeyZJZOHVQZPHBYPC-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.19
Rot. Bonds4

About (3-amino-2-oxopropyl)-(cyclohexylidenemethyl)-dihydroxyphosphanium

(3-amino-2-oxopropyl)-(cyclohexylidenemethyl)-dihydroxyphosphanium (PubChem CID 91929125) has the molecular formula C10H19NO3P+ and a molecular weight of 232.24 g/mol. Its IUPAC name is (3-amino-2-oxopropyl)-(cyclohexylidenemethyl)-dihydroxyphosphanium.

Molecular Properties

Compound Name(3-amino-2-oxopropyl)-(cyclohexylidenemethyl)-dihydroxyphosphanium
PubChem CID91929125
Molecular FormulaC10H19NO3P+
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name(3-amino-2-oxopropyl)-(cyclohexylidenemethyl)-dihydroxyphosphanium
SMILESNCC(=O)C[P+](O)(O)C=C1CCCCC1
InChIInChI=1S/C10H19NO3P/c11-6-10(12)8-15(13,14)7-9-4-2-1-3-5-9/h7,13-14H,1-6,8,11H2/q+1
InChIKeyZJZOHVQZPHBYPC-UHFFFAOYSA-N
XLogP1.19
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-3-cyclohexylidene-2-hydroxypropanoate
CID 124708327
(3-amino-2-oxopropyl)-trihydroxyphosphanium
CID 57252262
N-[(2R)-1-aminopropan-2-yl]-2-cyclohexylideneacetamide
CID 130723814
2-(cyclopentylidenemethyl)butan-1-amine
CID 142061121
1-cyclohexylidene-4-trimethylsilylbut-3-yn-2-ol
CID 122382305
2-methylpent-4-enylidenecyclohexane
CID 14296065
1-cyclopentylidenebutan-2-amine
CID 140674435
1-cycloheptylidene-3-hydroxypropan-2-one
CID 86245985
N-(cyclohexylidenemethyl)-2-methylbutanamide
CID 91359968
2-cyclooctylideneacetic acid
CID 10442086
N-(2-aminopropyl)-2-cyclopentylideneacetamide
CID 130735447
1-cyclooctylidenepropan-2-one
CID 12700422

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-oxopropyl)-(cyclohexylidenemethyl)-dihydroxyphosphanium?
The IUPAC name of (3-amino-2-oxopropyl)-(cyclohexylidenemethyl)-dihydroxyphosphanium (CID 91929125) is (3-amino-2-oxopropyl)-(cyclohexylidenemethyl)-dihydroxyphosphanium.
What is the SMILES notation for (3-amino-2-oxopropyl)-(cyclohexylidenemethyl)-dihydroxyphosphanium?
The canonical SMILES for (3-amino-2-oxopropyl)-(cyclohexylidenemethyl)-dihydroxyphosphanium is NCC(=O)C[P+](O)(O)C=C1CCCCC1.
What is the InChIKey of (3-amino-2-oxopropyl)-(cyclohexylidenemethyl)-dihydroxyphosphanium?
The InChIKey is ZJZOHVQZPHBYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3P/c11-6-10(12)8-15(13,14)7-9-4-2-1-3-5-9/h7,13-14H,1-6,8,11H2/q+1.
What are the key properties of (3-amino-2-oxopropyl)-(cyclohexylidenemethyl)-dihydroxyphosphanium?
(3-amino-2-oxopropyl)-(cyclohexylidenemethyl)-dihydroxyphosphanium has a molecular weight of 232.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-oxopropyl)-(cyclohexylidenemethyl)-dihydroxyphosphanium is sourced from PubChem (CID 91929125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).